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tyler

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About tyler

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  1. Inconsistencies in Act2

    While using the Act2 program, I was modeling UO2++ behavior at varying pH's and phosphate concentrations. I noticed on of the plots looked odd, only one species showed up on the graph. We've had something like this happen on a different computer and concluded the problem was a computer error because we compared it to an earlier saved script of the same basis. So I tried to recreate the same script, however both scripts showed the same basis but totally different graphs. I made sure to even check redox couples, and suppressed materials, etc. The databases read the same: thermo.com.v8.r6+.dat, under the preferences, but when I read the file properties, one reads thermo.dat and the other is the one mentioned above. The first script is the earlier correct one, the second is the one with the disparity. Thanks again for your help Eh 0.5 HPO4.ac2 confused.ac2
  2. Oh sorry, I just realized I didn't attach it. Here it is. SpecE8 basis 1 carbonate.sp8
  3. Hello, In the SpecE8 program, I incorporated all necessary compounds to be mixed in solution. However, when the program ran the simulation, an error message displayed that the residuals were too large or that *N-R didn't converge. When I played around with the constraints on the initial system, trying to balance charge, etc..., the simulation did sometimes balance but with either 200%+ error, or balanced elements which resulted in a solution mass of greater than 1X10^171kg.
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